Chlorine in PDB 2vub: Ccdb, A Topoisomerase Poison From E. Coli

The structure of Ccdb, A Topoisomerase Poison From E. Coli, PDB code: 2vub was solved by R.Loris, M.-H.Dao-Thi, E.M.Bahasi, L.Van Melderen, F.Poortmans, R.Liddington, M.Couturier, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.710, 92.980, 142.050, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25

The binding sites of Chlorine atom in the Ccdb, A Topoisomerase Poison From E. Coli (pdb code 2vub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Ccdb, A Topoisomerase Poison From E. Coli, PDB code: 2vub:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:37.4 occ:1.00 NE2 B:HIS85 3.5 40.2 1.0 NH1 B:ARG86 3.6 19.9 1.0 ND1 B:HIS55 3.8 47.0 1.0 N B:HIS55 4.0 35.1 1.0 CD B:ARG86 4.1 21.2 1.0 CB B:HIS55 4.3 38.8 1.0 CD2 B:HIS85 4.3 37.2 1.0 CG B:HIS55 4.5 42.9 1.0 CG B:ARG86 4.5 21.0 1.0 CE1 B:HIS85 4.6 37.5 1.0 CZ B:ARG86 4.6 22.8 1.0 CA B:VAL54 4.7 28.2 1.0 CA B:HIS55 4.7 37.5 1.0 CE1 B:HIS55 4.8 45.1 1.0 NE B:ARG86 4.8 21.2 1.0 C B:VAL54 4.8 30.4 1.0 O B:HIS55 5.0 40.0 1.0

Chlorine binding site 2 out of 5 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:29.7 occ:1.00 NH1 C:ARG86 3.3 34.1 1.0 ND1 C:HIS55 3.6 52.2 1.0 NE2 C:HIS85 3.6 32.8 1.0 N C:HIS55 4.0 37.5 1.0 CB C:HIS55 4.2 41.2 1.0 CG C:HIS55 4.3 47.7 1.0 CD C:ARG86 4.3 22.2 1.0 CD2 C:HIS85 4.4 32.7 1.0 CZ C:ARG86 4.5 26.9 1.0 CE1 C:HIS85 4.5 30.7 1.0 CE1 C:HIS55 4.6 51.1 1.0 CG C:ARG86 4.7 24.4 1.0 CA C:HIS55 4.7 40.2 1.0 CA C:VAL54 4.8 28.6 1.0 C C:VAL54 4.8 31.6 1.0 NE C:ARG86 4.9 26.5 1.0 O C:HIS55 4.9 42.2 1.0

Chlorine binding site 3 out of 5 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:28.5 occ:1.00 NH1 D:ARG86 3.3 22.8 1.0 N D:HIS55 3.5 35.8 1.0 CD2 D:HIS55 3.8 45.2 1.0 NE2 D:HIS85 3.9 26.0 1.0 CB D:HIS55 3.9 41.3 1.0 CG D:HIS55 4.2 43.8 1.0 CA D:HIS55 4.3 38.5 1.0 CA D:VAL54 4.3 29.2 1.0 C D:VAL54 4.4 31.6 1.0 CD D:ARG86 4.5 24.8 1.0 CZ D:ARG86 4.5 18.3 1.0 O D:HIS55 4.5 42.6 1.0 CD2 D:HIS85 4.5 24.8 1.0 CG D:ARG86 4.5 28.7 1.0 CB D:VAL54 4.8 30.6 1.0 C D:HIS55 4.9 41.2 1.0 CE1 D:HIS85 4.9 24.9 1.0 NE D:ARG86 4.9 21.6 1.0 O D:VAL53 5.0 27.6 1.0

Chlorine binding site 4 out of 5 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl102 b:35.0 occ:1.00 NH1 E:ARG86 3.3 25.7 1.0 ND1 E:HIS55 3.7 41.0 1.0 NE2 E:HIS85 3.7 35.1 1.0 N E:HIS55 3.8 34.9 1.0 CB E:HIS55 4.0 38.1 1.0 CG E:HIS55 4.3 39.6 1.0 CZ E:ARG86 4.5 28.5 1.0 CD E:ARG86 4.5 25.9 1.0 CA E:HIS55 4.5 38.4 1.0 CD2 E:HIS85 4.6 34.2 1.0 CA E:VAL54 4.6 27.3 1.0 C E:VAL54 4.6 29.6 1.0 CG E:ARG86 4.7 27.7 1.0 CE1 E:HIS85 4.7 37.1 1.0 CE1 E:HIS55 4.8 42.8 1.0 O E:HIS55 4.8 41.9 1.0 NE E:ARG86 5.0 25.4 1.0

Chlorine binding site 5 out of 5 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl102 b:40.0 occ:1.00 NH2 F:ARG30 3.0 36.5 1.0 NH2 A:ARG30 3.6 39.9 1.0 CZ F:ARG30 4.3 29.7 1.0 NH1 F:ARG10 4.4 50.0 1.0 CZ A:ARG30 4.5 34.0 1.0 CG F:PRO72 4.7 15.2 1.0 CD F:PRO72 4.8 21.1 1.0 NH2 F:ARG10 4.9 48.9 1.0

R.Loris, M.-H.Dao-Thi, E.M.Bahassi, L.Van Melderen, F.Poortmans, R.Liddington, M.Couturier, L.Wyns. Crystal Structure of Ccdb, A Topoisomerase Poison From E. Coli. J.Mol.Biol. V. 285 1667 1999.
ISSN: ISSN 0022-2836
PubMed: 9917404
DOI: 10.1006/JMBI.1998.2395